1Research and Evaluation Centre, Bharathiyar University, Coimbatore, India
2Department of Chemistry and Biochemistry, Jain University, Bengaluru, India
3Department of Chemistry, SSMRV Degree College, Bangalore, India
*Corresponding Author E-mail: g.padmapriya@jainuniversity.ac.in
Online Published on 06 January, 2026.
After synthesizing a Schiff base ligand, its structural, spectroscopic, and biological characteristics were thoroughly investigated. A triclinic crystal structure with a space group of P-1 was confirmed by determining the molecular structure through the use of powder X-ray diffraction and a simulated annealing method. Its molar conductivity value of 16 Ω–1 cm2 mol–1 demonstrated that the ligand was non-electrolytic. FTIR and ¹H NMR spectroscopic investigations confirmed the structural properties of the ligand. Notably, symmetric stretching vibrations of υ(NH) were responsible for bands in the FTIR spectrum in the region of ~1370–1390 cm–1 and a high-intensity band at 1725–1740 cm–1. Using the diffusion method, antibacterial activity against Pseudomonas aeruginosa, Escherichia coli, and Bacillus cereus were assessed. At 400 μg, the ligand showed considerable action, but at 100 μg, there was no inhibition evident. Strong binding affinity to the DNA region was shown by a binding energy of -7.5 kcal/mol found in molecular docking tests with DNA (PDB ID: 1HQ7). These results point to the Schiff base ligand’s encouraging potential for use in biological processes.
Alloxan Semicarbazones, Powder-X-Ray Diffraction, FTIR, NMR, Antibacterial, Ligand Interactions
